2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C15H25N3OS — CID 120556242

IUPAC2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)c(C(=O)NC2CCNCC2C)s1
InChIInChI=1S/C15H25N3OS/c1-9(2)7-13-14(20-11(4)17-13)15(19)18-12-5-6-16-8-10(12)3/h9-10,12,16H,5-8H2,1-4H3,(H,18,19)
InChIKeyBEBGBUCOKJVJEK-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.38
Rot. Bonds4

About 2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide

2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 120556242) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID120556242
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)c(C(=O)NC2CCNCC2C)s1
InChIInChI=1S/C15H25N3OS/c1-9(2)7-13-14(20-11(4)17-13)15(19)18-12-5-6-16-8-10(12)3/h9-10,12,16H,5-8H2,1-4H3,(H,18,19)
InChIKeyBEBGBUCOKJVJEK-UHFFFAOYSA-N
XLogP2.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119810827
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210
3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120555716
N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 120557670
3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 120554195
3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120553430
4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120555972
4-methyl-N-(3-methylpiperidin-4-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 120556282
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 124590625
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 124590623
2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120553729
5-ethyl-4-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120553990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 120556242) is 2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(C)C)c(C(=O)NC2CCNCC2C)s1.
What is the InChIKey of 2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BEBGBUCOKJVJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-9(2)7-13-14(20-11(4)17-13)15(19)18-12-5-6-16-8-10(12)3/h9-10,12,16H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120556242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).